Analyte Name

4-Deacetyl-4-propionyl Cabazitaxel-D6

Molecular Formula

C46 D6 H53 N O14

Molecular Weight

855.996

Accurate Mass

855.431

SMILES

[2H]C([2H])([2H])O[C@H]1C[C@H]2OC[C@@]2(OC(=O)CC)[C@H]3[C@H](OC(=O)c4ccccc4)C5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](OC([2H])([2H])[2H])C(=O)[C@]13C)C5(C)C)C

InChI

InChI=1S/C46H59NO14/c1-11-31(48)60-45-24-57-30(45)22-29(55-9)44(8)36(45)38(59-39(51)27-20-16-13-17-21-27)46(54)23-28(25(2)32(43(46,6)7)35(56-10)37(44)50)58-40(52)34(49)33(26-18-14-12-15-19-26)47-41(53)61-42(3,4)5/h12-21,28-30,33-36,38,49,54H,11,22-24H2,1-10H3,(H,47,53)/t28-,29-,30+,33-,34+,35+,36-,38-,44+,45-,46?/m0/s1/i9D3,10D3

IUPAC

[(2S,3R,4S,7R,9S,10S,12R,15S)-1-hydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-4-propanoyloxy-9,12-bis(trideuteriomethoxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat